2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol

C16H14ClN3O — CID 121269678

IUPAC2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol
SMILESCc1cnc(-c2ccc(Cl)nc2)n1Cc1ccccc1O
InChIInChI=1S/C16H14ClN3O/c1-11-8-19-16(12-6-7-15(17)18-9-12)20(11)10-13-4-2-3-5-14(13)21/h2-9,21H,10H2,1H3
InChIKeyISXZSGCHFJXDOO-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.66
Rot. Bonds3

About 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol

2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol (PubChem CID 121269678) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol
PubChem CID121269678
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol
SMILESCc1cnc(-c2ccc(Cl)nc2)n1Cc1ccccc1O
InChIInChI=1S/C16H14ClN3O/c1-11-8-19-16(12-6-7-15(17)18-9-12)20(11)10-13-4-2-3-5-14(13)21/h2-9,21H,10H2,1H3
InChIKeyISXZSGCHFJXDOO-UHFFFAOYSA-N
XLogP3.66
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

CID 388623
CID 388623
CID 22185475
CID 22185475
CID 2806275
CID 2806275
CID 860281
CID 860281
CID 1096453
CID 1096453
CID 16682232
CID 16682232
CID 44456188
CID 44456188
CID 136008115
CID 136008115
CID 747290
CID 747290
CID 169452185
CID 169452185
CID 655983
CID 655983
CID 1475109
CID 1475109

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol (CID 121269678) is 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol is Cc1cnc(-c2ccc(Cl)nc2)n1Cc1ccccc1O.
What is the InChIKey of 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol?
The InChIKey is ISXZSGCHFJXDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-8-19-16(12-6-7-15(17)18-9-12)20(11)10-13-4-2-3-5-14(13)21/h2-9,21H,10H2,1H3.
What are the key properties of 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol?
2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol has a molecular weight of 299.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-chloro-3-pyridinyl)-5-methylimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 121269678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).